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Architectured BaTiO3/TiO2 heterostructures via in-situ and ex-situ synthesis routes: Tuning interfacial structures for enhanced photocatalytic performance 通过原位和非原位合成途径构建BaTiO3/TiO2异质结构:调整界面结构以增强光催化性能
IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-02-01 DOI: 10.1016/j.surfin.2026.108661
Papol Pimsri , Nicha Tabtimtong , Pakpoom Athikaphan , Sora-at Tanusilp , Tammanoon Chankhanittha , Supinya Nijpanich , Kitirote Wantala , Methus Suwannaruang
The persistence of fluoroquinolone antibiotics such as ciprofloxacin in aquatic environments poses a serious challenge, as conventional treatment processes are often ineffective and their accumulation promotes antimicrobial resistance. To address this, BaTiO3/TiO2 heterojunction photocatalysts were synthesized via in-situ hydrothermal and ex-situ physical mixing routes and characterized to correlate their physicochemical properties with photocatalytic activity. XRD, FTIR, and XPS confirmed the coexistence of tetragonal BaTiO3 and anatase TiO2 phases, with synthesis-dependent variations in oxygen vacancies and surface chemistry. Morphological analysis by FE-SEM and FE-TEM revealed rod-like TiO2 growth on BaTiO3 in hydrothermal composites, while physically mixed samples exhibited more uniform surface decoration. BET analysis showed that hydrothermal products provided higher surface areas and mesoporosity, whereas physical mixtures contained irregular pores caused by particle aggregation. Optical characterization by UV–Vis-DRS suggested slight bandgap narrowing in hydrothermal composites, attributable to stronger interfacial coupling. Photocatalytic tests were performed under UV irradiation using a 400 W UV lamp at 365 nm, with ciprofloxacin at 40 ppm and pH 4 and a catalyst loading of 1 g/L. The physically mixed composites, particularly BaTiO3/TiO2–40P, achieved the highest degradation efficiency (96.4%) with kapp of 0.0185 min–1 within 180 min. These results indicated that although hydrothermal synthesis improves textural properties, the defect-rich interfaces and favorable charge trapping in physically mixed composites yield superior photocatalytic efficiency. This study emphasized the importance of interfacial engineering and synthesis control in developing efficient ferroelectric-semiconductor photocatalysts for wastewater treatment applications.
环丙沙星等氟喹诺酮类抗生素在水生环境中的持久性构成了严峻的挑战,因为传统的处理工艺往往无效,而且它们的积累促进了抗菌素耐药性。为了解决这一问题,通过原位水热和非原位物理混合途径合成了BaTiO3/TiO2异质结光催化剂,并对其物理化学性质和光催化活性进行了表征。XRD, FTIR和XPS证实了四方BaTiO3和锐钛矿型TiO2相共存,并且氧空位和表面化学的变化依赖于合成。FE-SEM和FE-TEM形貌分析显示,热液复合材料中TiO2在BaTiO3表面呈棒状生长,而物理混合后的样品表面装饰更加均匀。BET分析表明,热液产物具有更高的比表面积和介孔,而物理混合物中含有由颗粒聚集引起的不规则孔隙。UV-Vis-DRS光学表征表明,水热复合材料的带隙略有缩小,这是由于界面耦合更强。采用400w紫外灯,365nm波长,环丙沙星浓度为40 ppm, pH为4,催化剂负载为1 g/L,进行光催化试验。物理混合的复合材料,尤其是BaTiO3/ TiO2-40P,在180 min内达到最高的降解效率(96.4%),kapp为0.0185 min - 1。这些结果表明,水热合成虽然改善了结构性能,但在物理混合的复合材料中,富缺陷界面和有利的电荷俘获产生了优越的光催化效率。本研究强调了界面工程和合成控制在开发高效的废水处理铁电半导体光催化剂中的重要性。
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引用次数: 0
Biochar-supported sulfidated nanoscale zero-valent iron (S-nZVI@BC): Porous structures synergizing FeS for electron transfer to enhance hydrogen2 production and long-term stability from food waste dark fermentation 生物炭负载的硫化纳米级零价铁(S-nZVI@BC):多孔结构协同FeS进行电子转移,以提高食物垃圾暗发酵的氢气产量和长期稳定性
IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-01-30 DOI: 10.1016/j.surfin.2026.108652
Shiyan Gu, Haiqiao Zhao, Ruoyu Kuang, Xiaoxia Li, Peng Gao, Huanhuan Wei, Xinyi Yu, Shuai Wang
Biochar-supported sulfidated nanoscale zero-valent iron (S-nZVI@BC) was synthesized via a one-step liquid-phase reduction method using corn stalk biochar to enhance hydrogen production from food waste dark fermentation. Compared to activated carbon (BET surface area 124 m²/g), corn stalk biochar possesses a hierarchical porous structure with a higher specific surface area (186 m²/g) and significantly greater content of surface hydroxyl and carboxyl groups. This structure serves as a core substrate for dispersing S-nZVI (particle size 50-80 nm) and constructing electron transfer pathways. It not only inhibited the agglomeration of S-nZVI (SEM observations showed a particle size of 50-80 nm for S-nZVI@BC, compared to 1-2 μm for pure S-nZVI) but also collaborated with the FeS layer (FTIR characteristic peak at 592 cm⁻¹) and oxygen-containing functional groups to establish highly efficient electron transfer channels, increasing the extracellular electron transfer rate by 91.7%. The maximum hydrogen yield of S-nZVI@BC reached 65.5±2.3 mL/g VS, which was 83.2% higher than the control group (35.7±1.8 mL/g VS, p<0.01), and it retained 84.4% of its hydrogen production activity after 60 days of aging, which was significantly higher than activated carbon-supported nZVI and physical mixtures (11.54% lower yield). High-throughput sequencing results indicated that S-nZVI@BC enriched for Firmicutes (relative abundance 90.97%) and Bathyarchaeia (relative abundance 30.89%), directing metabolism towards a butyrate-dominated pathway (butyrate accounting for 44%) and promoting the degradation of complex organics. This study elucidates the coupling mechanism of "biochar porous structure - FeS electron channel - microbial metabolism," providing a scalable strategy for the valorisation of organic waste.
以玉米秸秆生物炭为原料,通过一步液相还原法制备硫化纳米级零价铁(S-nZVI@BC),提高食物垃圾暗发酵产氢效率。与活性炭(BET表面积124 m²/g)相比,玉米秸秆生物炭具有分层多孔结构,比表面积更高(186 m²/g),表面羟基和羧基含量显著增加。该结构是分散S-nZVI(粒径50-80 nm)和构建电子转移途径的核心底物。它不仅抑制了S-nZVI的团聚(S-nZVI@BC的粒径为50-80 nm,而纯S-nZVI的粒径为1-2 μm),而且与FeS层(FTIR特征峰为592 cm⁻¹)和含氧官能团协同建立了高效的电子传递通道,使细胞外电子传递率提高了91.7%。S-nZVI@BC的最大产氢率达到65.5±2.3 mL/g VS,比对照组(35.7±1.8 mL/g VS, p<0.01)提高了83.2%,经过60 d的老化后仍保持84.4%的产氢活性,显著高于活性炭负载的nZVI和物理混合物(产氢率降低11.54%)。高通量测序结果表明,S-nZVI@BC富集于厚壁菌门(相对丰度90.97%)和深海菌门(相对丰度30.89%),将代谢导向以丁酸为主的途径(丁酸占44%),促进复杂有机物的降解。本研究阐明了“生物炭多孔结构- FeS电子通道-微生物代谢”的耦合机制,为有机废物的增值提供了可扩展的策略。
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引用次数: 0
Aluminum stimulated efficient photocatalytic degradation of sulfamethoxazole based on layered BiOCl nanosheets 基于层状BiOCl纳米片的铝刺激高效光催化降解磺胺甲恶唑
IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-01-29 DOI: 10.1016/j.surfin.2026.108583
Zhen Han , Liang Ma , Yuhao Zhang
The extensive use of chemically stable and cost-effective antibiotics, such as sulfamethoxazole (SMX), has led to severe environmental pollution due to their persistence in water systems and biota, despite the widespread adoption of advanced oxidation processes (AOPs) and semiconductor photocatalysts. However, existing photocatalytic materials, including metal sulfides (like, CdS, ZnS), face critical challenges such as photocorrosion and narrow optical response ranges, while bismuth oxyhalides (BiOX) suffer from limited visible-light activity due to their wide bandgaps. To address these limitations, this study proposes a novel strategy of aluminum functionalization to optimize the electronic structure of layered BiOCl nanosheets. A one-pot synthesis method was employed to prepare Al-doped BiOCl (Al-BiOCl), which demonstrated significantly enhanced photocatalytic performance for SMX degradation. Experimental results revealed that Al-BiOCl achieved a degradation efficiency of 98.2% (vs. 76% for pristine BiOCl) under visible light, with an apparent rate constant (kobs) 1.67-fold higher than that of undoped BiOCl. Radical quenching experiments identified photogenerated holes (h⁺) and superoxide radicals (·O₂-) as the dominant active species, highlighting the efficient utilization of photogenerated excitons. Notably, Al-BiOCl retained 75.2% degradation efficiency after five consecutive cycles in real water matrices (tap water, surface water, and sewage effluent), confirming its robust stability. These findings establish Al-BiOCl as a promising photocatalyst for antibiotic pollution remediation, offering both technical solutions to environmental contamination and fundamental insights into the role of aluminum doping in enhancing semiconductor photocatalysis through optimized charge carrier separation and bandgap modulation.
尽管广泛采用了高级氧化工艺(AOPs)和半导体光催化剂,但化学稳定且具有成本效益的抗生素(如磺胺甲恶唑(SMX))的广泛使用,由于其在水系统和生物群中的持久性,导致了严重的环境污染。然而,现有的光催化材料,包括金属硫化物(如CdS, ZnS),面临着诸如光腐蚀和狭窄的光学响应范围等严峻挑战,而氧化卤化铋(BiOX)由于其宽带隙而受到可见光活性的限制。为了解决这些限制,本研究提出了一种新的铝功能化策略来优化层状BiOCl纳米片的电子结构。采用一锅法制备了掺杂al的BiOCl (Al-BiOCl),该材料对SMX的光催化性能得到了显著提高。实验结果表明,Al-BiOCl在可见光下的降解效率为98.2%(原始BiOCl为76%),表观速率常数(kobs)比未掺杂的BiOCl高1.67倍。自由基猝灭实验发现光生空穴(h +)和超氧自由基(·O₂-)是优势活性物质,突出了光生激子的高效利用。值得注意的是,Al-BiOCl在实际水基质(自来水、地表水和污水)中连续5次循环后仍保持75.2%的降解效率,证实了其强大的稳定性。这些发现表明Al-BiOCl是一种很有前景的抗生素污染修复光催化剂,既提供了环境污染的技术解决方案,也为铝掺杂通过优化载流子分离和带隙调制来增强半导体光催化的作用提供了基本见解。
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引用次数: 0
Decarbonization via polyethersulfone-based composite membranes containing bimetallic Zn-Co nanoferrites 含双金属Zn-Co纳米铁氧体的聚醚砜基复合膜脱碳
IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-01-28 DOI: 10.1016/j.surfin.2026.108628
Muneerah Alomar , Kiran Shahzadi , Afraa Alotaibi , Muhammad Sarfraz
For post-combustion CO2 capture, nanomaterials-doped polymer-based composite membranes are a viable option. In this study, Zn-Co nanoferrite (Zn1-ₓCoₓFe₂O₄) nanoparticles were added to polyethersulfone (PES)-based composite membranes using phase inversion and solution casting techniques to improve gas separation performance. Membrane structure, porosity, mechanical strength and CO2 separation efficiency were thoroughly examined in relation to nanoferrites annealing. CO2 permeability increased from 25 Barrer (pristine PES) to 67 Barrer with addition of 10 weight percent annealed Zn-Co nanoferrites, whereas CO2/N2 selectivity remained at 23. Optical microscopy showed uniform nanoparticle dispersion with little aggregation, while structural analysis verified development of spinel-type Zn-Co ferrites with crystallite diameters of 29-45 nm. Higher gas permeation and stable separation performance resulted from improved mechanical robustness, pore homogeneity and improved interfacial compatibility between annealed ferrites and PES matrix. These findings show that designed PES/Zn-Co nanoferrite membranes have great promise for decarbonizing flue gases in an energy-efficient manner.
对于燃烧后的二氧化碳捕获,掺杂纳米材料的聚合物基复合膜是一种可行的选择。本研究将纳米Zn-Co铁素体(Zn1-ₓCoₓFe₂O₄)纳米颗粒通过相转化和溶液铸造技术添加到聚醚砜(PES)基复合膜中,以提高气体分离性能。研究了纳米铁素体退火对膜结构、孔隙率、机械强度和CO2分离效率的影响。加入10%的Zn-Co纳米铁氧体后,CO2渗透率从25 Barrer(原始PES)增加到67 Barrer,而CO2/N2选择性保持在23 Barrer。光学显微镜观察到纳米颗粒分散均匀,聚集较少,结构分析证实了尖晶石型Zn-Co铁氧体的发育,晶粒直径为29-45 nm。退火铁氧体与PES基体之间的力学稳定性、孔隙均匀性和界面相容性得到改善,从而提高了气体渗透率和稳定的分离性能。这些发现表明,设计的PES/Zn-Co纳米铁氧体膜在高效脱碳烟气方面具有很大的前景。
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引用次数: 0
Corrosion inhibition performance of three imidazole derivatives in acidic etching solutions to fabricate copper lines of printed circuit boards 三种咪唑衍生物在酸性蚀刻溶液中对印制电路板铜线的缓蚀性能
IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-01-28 DOI: 10.1016/j.surfin.2026.108630
Xue Yang , Miao Yu , Tao Hang , Wenjing Chen , Xianming Chen , Mingji Zhou , Chunqin Yang , Jianjun Zhang , Houwen Liu , Zongyi Ma , Min Zhu , Yuanming Chen
Corrosion inhibition performance of three imidazole derivatives, including 1,1′-sulfonyldiimidazole (SDI), 1,4-bis[(1H-imidazol-1-yl)methyl]benzene (BIMB), and 1,1′-carbonyldiimidazole (CDI), was investigated for copper corrosion in acidic etching solutions with 10 mmol L⁻¹ above corrosion inhibitors at 25 °C. Quantum chemical calculations and molecular dynamics simulations were performed to elucidate their adsorption behavior of the inhibitors on copper surfaces, and electrochemical measurements were used to evaluate their adsorption mechanisms. Furthermore, surface morphology characterization and etch factor analysis were conducted to assess the microstructural changes and etching efficiency of copper. Among the three inhibitors, CDI exhibited the best corrosion inhibition performance. Electrochemical testing results revealed that cathodic suppression dominated the corrosion inhibition of three inhibitors on copper: SDI and BIMB had the inhibition efficiency of <50%, whereas CDI had the highest charge transfer resistance for the inhibition efficiency of 72.01%. In the presence of CDI, the copper lines with line width/line spacing of 60 μm/60 μm and 30 μm/30 μm respectively achieved an etching factor of 16.55 and 13.24, outperforming BIMB and SDI. This work provides theoretical and experimental insights into the design of high-performance imidazole-based corrosion inhibitors for copper etching to fabricate copper lines of printed circuit boards.
研究了3种咪唑衍生物(1,1′-磺酰二咪唑(SDI)、1,4-双[(1h -咪唑-1-酰基)甲基]苯(BIMB)和1,1′-羰基二咪唑(CDI))在酸性蚀刻液中对铜的缓蚀性能。通过量子化学计算和分子动力学模拟来阐明抑制剂在铜表面的吸附行为,并通过电化学测量来评价其吸附机理。此外,通过表面形貌表征和蚀刻因素分析来评估铜的微观结构变化和蚀刻效率。在3种缓蚀剂中,CDI的缓蚀性能最好。电化学测试结果表明,3种缓蚀剂对铜的缓蚀作用以阴极抑制为主,SDI和BIMB的缓蚀效率为50%,而CDI的电荷转移电阻最高,缓蚀效率为72.01%。在CDI存在下,线宽/线距分别为60 μm/60 μm和30 μm/30 μm的铜线的蚀刻系数分别为16.55和13.24,优于BIMB和SDI。这项工作为设计高性能咪唑基缓蚀剂用于铜蚀刻以制造印刷电路板的铜线提供了理论和实验见解。
{"title":"Corrosion inhibition performance of three imidazole derivatives in acidic etching solutions to fabricate copper lines of printed circuit boards","authors":"Xue Yang ,&nbsp;Miao Yu ,&nbsp;Tao Hang ,&nbsp;Wenjing Chen ,&nbsp;Xianming Chen ,&nbsp;Mingji Zhou ,&nbsp;Chunqin Yang ,&nbsp;Jianjun Zhang ,&nbsp;Houwen Liu ,&nbsp;Zongyi Ma ,&nbsp;Min Zhu ,&nbsp;Yuanming Chen","doi":"10.1016/j.surfin.2026.108630","DOIUrl":"10.1016/j.surfin.2026.108630","url":null,"abstract":"<div><div>Corrosion inhibition performance of three imidazole derivatives, including 1,1′-sulfonyldiimidazole (SDI), 1,4-bis[(1H-imidazol-1-yl)methyl]benzene (BIMB), and 1,1′-carbonyldiimidazole (CDI), was investigated for copper corrosion in acidic etching solutions with 10 mmol L⁻¹ above corrosion inhibitors at 25 °C. Quantum chemical calculations and molecular dynamics simulations were performed to elucidate their adsorption behavior of the inhibitors on copper surfaces, and electrochemical measurements were used to evaluate their adsorption mechanisms. Furthermore, surface morphology characterization and etch factor analysis were conducted to assess the microstructural changes and etching efficiency of copper. Among the three inhibitors, CDI exhibited the best corrosion inhibition performance. Electrochemical testing results revealed that cathodic suppression dominated the corrosion inhibition of three inhibitors on copper: SDI and BIMB had the inhibition efficiency of &lt;50%, whereas CDI had the highest charge transfer resistance for the inhibition efficiency of 72.01%. In the presence of CDI, the copper lines with line width/line spacing of 60 μm/60 μm and 30 μm/30 μm respectively achieved an etching factor of 16.55 and 13.24, outperforming BIMB and SDI. This work provides theoretical and experimental insights into the design of high-performance imidazole-based corrosion inhibitors for copper etching to fabricate copper lines of printed circuit boards.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"84 ","pages":"Article 108630"},"PeriodicalIF":6.3,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Preparation and corrosion behavior of MgAl-LDH layers on magnesium compacts prepared by powder metallurgy 粉末冶金镁合金致密体上MgAl-LDH层的制备及其腐蚀行为
IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-01-28 DOI: 10.1016/j.surfin.2026.108617
Martin Buchtík , Matěj Březina , Jiří Másilko , Daniel Kajánek , Ivo Kuběna , Stanislava Fintová , Leoš Doskočil
Magnesium materials were classified as biodegradable materials. However, their poor corrosion resistance hinders their widespread use. To increase corrosion resistance, LDH layers can be applied to their surface. In this work, MgAl-LDH layers were produced for the first time on Mg compact prepared by powder metallurgy. The preparation of LDH layers was performed by one-step in situ deposition under optimal conditions for 9 h at 95 °C. The higher deposition time led to a significant increase in the Mg(OH)2 content in the Mg compact and to the occurrence of structural defects. The MgAl-LDH layer had a positive effect on the corrosion properties of Mg compacts in Hank's solution. The corrosion behavior differed in some aspects from conventional Mg materials. The corrosion induced the formation of hydroxyapatite, which initially formed on the LDH layer and improved the corrosion resistance. After the LDH layer was broken, the structural nature of Mg compacts led to intense degradation, which limited the protective effect of corrosion products. Coating thus appears to be a viable and suitable strategy for improving the corrosion properties of Mg materials prepared by powder metallurgy.
镁材料被归类为可生物降解材料。然而,它们的耐腐蚀性差阻碍了它们的广泛使用。为了提高耐腐蚀性,可以在其表面施加LDH层。本文首次在粉末冶金法制备的镁合金致密体上制备了MgAl-LDH层。在95°C的最佳条件下,一步原位沉积9h,制备LDH层。随着沉积时间的延长,镁合金中Mg(OH)2含量显著增加,导致结构缺陷的发生。MgAl-LDH层对Mg合金在Hank’s溶液中的腐蚀性能有积极的影响。其腐蚀行为与常规镁材料在某些方面存在差异。腐蚀诱导羟基磷灰石的形成,羟基磷灰石最初形成在LDH层上,提高了材料的耐蚀性。在LDH层被破坏后,Mg致密体的结构性质导致了强烈的降解,这限制了腐蚀产物的保护作用。因此,涂层是改善粉末冶金制备的镁材料腐蚀性能的可行和合适的策略。
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引用次数: 0
High-strength cellulose acetate-Kraft lignin composite transparent film with excellent UV resistance and antioxidation properties 高强度醋酸纤维素-硫酸盐木质素复合透明膜,具有优异的抗紫外线和抗氧化性能
IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-01-28 DOI: 10.1016/j.surfin.2026.108618
Mei-chan Li , Yong-sheng Fu , Qin Gao , Hui Jiang , Li-na Guo , Hui-fen Su , Jia-wei Ding , Sheng Chen , Xin Li , Jun Li , De-qiang Li , Zun-qi Liu , Muhammad Asif Javaid
The traditional polymer-induced risks have gradually come into public view. Polysaccharides and their derivatives have shown potential in replacing traditional polymers. However, polysaccharide-derived materials generally exhibit a single function, limiting their application. Here, cellulose acetate-based composite films were developed by integrating Kraft lignin (KL). The resultant films not only retain the UV resistance and antioxidation properties of lignin but also possess the exceptional swelling resistance, thermal stability, and mechanical performance of cellulose acetate (CA). The sample CAL3 has shown high blocking properties of 95% and 100% at the UVA and UVB regions, respectively. In terms of mechanical performance, the CAL3 has an elongation at break of 75%, tensile strength of 53 MPa, and Young's modulus of 70.7 MPa. After 240 h of UV irradiation, all composite films maintained stability in mechanical performance, transparency, and UV-blocking properties. Such versatile composites hold potential in various fields, including construction, daily protection, plastic packaging, agriculture, and beyond.
传统的聚合物引发的风险已逐渐进入公众视野。多糖及其衍生物已显示出取代传统聚合物的潜力。然而,多糖衍生材料通常表现出单一的功能,限制了它们的应用。本文以硫酸盐木质素(KL)为原料,制备了醋酸纤维素基复合膜。所得膜不仅保留了木质素的抗紫外线和抗氧化性能,而且还具有醋酸纤维素(CA)的优异的抗膨胀性、热稳定性和机械性能。样品CAL3在UVA和UVB区域分别表现出95%和100%的高阻隔性能。力学性能方面,CAL3的断裂伸长率为75%,抗拉强度为53 MPa,杨氏模量为70.7 MPa。经过240 h的UV照射后,复合膜的力学性能、透明度和防紫外线性能均保持稳定。这种多功能复合材料在建筑、日常防护、塑料包装、农业等各个领域都有潜力。
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引用次数: 0
Thermomechanical properties of spiro-graphene nanosheets: NEMD study on geometry, temperature, defects, and layering effects 螺旋-石墨烯纳米片的热机械性能:几何、温度、缺陷和分层效应的NEMD研究
IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-01-28 DOI: 10.1016/j.surfin.2026.108627
Ali Ghasemi
The thermomechanical properties of Spiro-graphene nanosheets (GNSs) are investigated using non-equilibrium molecular dynamic (NEMD) simulations, focusing on elastic modulus, ultimate stress, toughness, and thermal conductivity (TC). The effects of dimensions, layers, temperature, and vacancy defects are examined. Spiro-graphene's structural symmetry results in identical mechanical properties along armchair and zigzag directions, with stress-strain curves showing ductile fracture behavior. Size-dependent properties reveal a decrease in Young’s modulus and ultimate stress with increasing side length, converging to 456 GPa, attributed to reduced edge effects and increased stress concentrations. TC increases with side length, stabilizing at 12.45 W/mK due to reduced phonon boundary scattering. Increasing layers from 1 to 5 reduces Young’s modulus, converging to 474.6 GPa, and decreases TC to 6.66 W/mK due to enhanced interlayer phonon scattering and van der Waals interactions.
利用非平衡分子动力学(NEMD)模拟研究了螺杆石墨烯纳米片(GNSs)的热力学性能,重点研究了弹性模量、极限应力、韧性和导热系数(TC)。考察了尺寸、层数、温度和空位缺陷的影响。螺旋石墨烯的结构对称性导致其在扶手椅和之字形方向上具有相同的力学性能,应力-应变曲线表现出延性断裂行为。尺寸相关的特性表明,杨氏模量和极限应力随着边长的增加而降低,趋近于456 GPa,这是由于边缘效应的减少和应力集中的增加。温度随边长增加而增加,稳定在12.45 W/mK,这是由于声子边界散射的减少。由于层间声子散射和范德华相互作用增强,从1层增加到5层,杨氏模量降低到474.6 GPa, TC降低到6.66 W/mK。
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引用次数: 0
pH-responsive composite membrane with reversible dual superwettability switching for on-demand oil-water separation ph响应复合膜可逆双超润湿性切换按需油水分离
IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-01-28 DOI: 10.1016/j.surfin.2026.108629
Jiatao Luo , Benfeng Zhu , Na Chen , Jingjing Yang , Jie Zhu , Youting Rong , Yumeng Yang , Jiao Liu , Zhao Zhang , Feifan Chang , Cuiping Ji , Li Jiang , Guoying Wei
Oily wastewater represents a serious threat to public health and ecological systems, necessitating the development of innovative strategies to overcome the inherent single-wettability limitation of conventional oil-water separation materials. Here, we present a straightforward method for fabricating pH-responsive composite membranes through hydrophobic modification and nanostructure assembly on robust polypyrrole substrates. The resulting membrane demonstrates a remarkable reversible transition between hydrophilic/underwater superoleophobic and superhydrophobic/superoleophilic states, triggered by pH modulation. This transformation is driven by the pH-induced structural reorganization of fluorinated chains in PFOTs, accompanied by dynamic changes in surface chemical composition. Owing to this unique switching behavior, the membrane achieves on-demand separation of both heavy and light oil/water mixtures, with separation efficiencies of 98.6 % in acidic environments and 93.4 % in alkaline environments, and corresponding fluxes of 50.5 L m⁻2 h⁻1 and 68.8 L m⁻2 h⁻1, respectively. Notably, the membrane maintains stable performance over 50 cycles and 30 cycles under acidic and alkaline conditions, respectively. This intelligent membrane with dual separation modes exhibits significant potential for advanced applications in wastewater treatment and oil extraction, offering a versatile and efficient solution for addressing complex oil-water separation challenges.
含油废水对公共卫生和生态系统构成严重威胁,需要开发创新策略来克服传统油水分离材料固有的单一润湿性限制。在这里,我们提出了一种直接的方法,通过疏水修饰和纳米结构组装在坚固的聚吡咯基底上制造ph响应复合膜。所得膜在pH调节下表现出亲水性/水下超疏油性和超疏水性/超亲油性之间的显著可逆转变。这种转变是由ph诱导的PFOTs中氟化链的结构重组驱动的,伴随着表面化学成分的动态变化。由于这种独特的切换行为,膜可以按需分离重油和轻油/水混合物,在酸性环境中分离效率为98.6%,在碱性环境中分离效率为93.4%,相应的通量分别为50.5 L m⁻2 h毒血症和68.8 L m⁻2 h毒血症。值得注意的是,在酸性和碱性条件下,膜分别在50次和30次循环中保持稳定的性能。这种具有双重分离模式的智能膜在污水处理和采油方面具有巨大的应用潜力,为解决复杂的油水分离问题提供了一种多功能和高效的解决方案。
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引用次数: 0
Surface modification for radiative heat dissipation and self-cleaning on aluminum alloys 铝合金的辐射散热和自清洁表面改性
IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-01-27 DOI: 10.1016/j.surfin.2026.108614
Zhiwei Hao , Xian Zeng , Daiming Zhou , Shutong Kan , Pingchuan Chen , Libo Liang , Qian Cao , Lijie Dong
This study presents a surface modification technique for aluminum alloys designed for thermal management in outdoor electronic enclosures. A multilevel rough structure was constructed on the alloy surface via a combination of sandblasting and etching, followed by the grafting of perfluorodecyltriethoxysilane (PFTEOS). The treated sample exhibited an infrared emissivity of 0.8951 and a superhydrophobic character, with a water contact angle of 153.63° ± 0.9° and a sliding angle of 3.2° ± 0.2°. These properties conferred excellent self-cleaning ability and resistance to water flow impact. Under testing with a 3 W heat source and direct sunlight, the modified enclosure achieved an average internal temperature reduction of 6.4 °C compared to an untreated enclosure, while maintaining a high thermal conductivity of 157.88 W·m⁻¹·K⁻¹. The results demonstrate that this method effectively enhances radiative heat dissipation without compromising thermal conductivity.
本研究提出了一种用于室外电子外壳热管理的铝合金表面改性技术。通过喷砂和蚀刻相结合的方法在合金表面构建多层粗糙结构,然后接枝全氟十二烷基三乙氧基硅烷(PFTEOS)。处理后的样品红外发射率为0.8951,具有超疏水特性,水接触角为153.63°±0.9°,滑动角为3.2°±0.2°。这些特性赋予了卓越的自清洁能力和抗水流冲击的能力。在3w热源和阳光直射下的测试中,改进后的外壳与未处理的外壳相比,平均内部温度降低了6.4°C,同时保持了157.88 W·m(⁻¹·K)的高导热性。结果表明,该方法在不影响导热系数的情况下有效地提高了辐射散热。
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Surfaces and Interfaces
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